SCHEMBL7009750

SCHEMBL7009750

COc1cc(C(=O)O)c(F)c(C)c1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.58
TSHR P16473 1/20 0.42
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
KDM4E B2RXH2 4/20 0.41
POLB P06746 2/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CDK2 P24941 1/20 0.40
MYC P01106 1/20 0.39
LMNA P02545 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 4/20 0.37
HTT P42858 2/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
HPGD P15428 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1675659 0.82 PKM (0.55) PKMLCKFYNKDM4EPOLB
SCHEMBL1675773 0.81 TSHR (0.42) PKMTSHRPOLBTDP1CDK2
SCHEMBL16689288 0.79 PKM (0.76) PKMLCKFYNKDM4EPOLB
SCHEMBL7008342 0.79 ALDH1A1 (0.46) PKMKDM4EPOLBLMNAALDH1A1
SCHEMBL1004753 0.79 PKM (0.61) PKMTSHRLCKFYNKDM4E
SCHEMBL8683506 0.78 PKM (0.56) PKMTSHRKDM4EPOLBCTDSP1
SCHEMBL667424 0.78 PKM (0.78) PKMTSHRLCKFYNKDM4E
SCHEMBL29128070 0.78 PKM (0.64) PKMTSHRLCKFYNKDM4E
SCHEMBL2681693 0.78 PKM (0.78) PKMTSHRLCKFYNKDM4E
SCHEMBL26628825 0.78 PKM (0.64) PKMTSHRLCKFYNKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0945435-B1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT WAKUNAGA PHARMA CO LTD (JP) 2003-08-13 EP disclosed
US-6136823-A BACTERICIDES OR VIRICIDES WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2000-10-24 US disclosed
EP-0945435-A1 NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVES OR SALTS THEREOF AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP disclosed